bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C68H53BBrCoF20N4- — CID 139180261

About bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 139180261) has the molecular formula C68H53BBrCoF20N4- and a molecular weight of 1455.81 g/mol. Its IUPAC name is bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

• Compound Name: bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• PubChem CID: 139180261
• Molecular Formula: C68H53BBrCoF20N4-
• Molecular Weight: 1455.81 g/mol
• Exact Mass: 1454.26
• IUPAC Name: bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• SMILES: Brc1ccccc1.C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Co].c1ccncc1
• InChI: InChI=1S/C33H43N3.C24BF20.C6H5Br.C5H5N.Co/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h11-23H,1-10H3;;1-5H;1-5H;/q;-1;;;/b34-24+,35-25+
• InChIKey: ZWTYNDGTNUHGLH-VRCYMSAESA-N
• XLogP: 19.23
• TPSA: 50.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1455.81
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The IUPAC name of bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 139180261) is bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

What is the SMILES notation for bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The canonical SMILES for bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is Brc1ccccc1.C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Co].c1ccncc1.

What is the InChIKey of bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The InChIKey is ZWTYNDGTNUHGLH-VRCYMSAESA-N. The full InChI is InChI=1S/C33H43N3.C24BF20.C6H5Br.C5H5N.Co/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h11-23H,1-10H3;;1-5H;1-5H;/q;-1;;;/b34-24+,35-25+;;;;.

What are the key properties of bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 1455.81 g/mol, XLogP of 19.23, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bromobenzene;cobalt;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pyridine;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 139180261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).